ethyl 1-[(2R)-2-acetamido-3-(3-bromophenyl)sulfanyl-propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-2-acetamido-3-(3-bromophenyl)sulfanyl-propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2R)-2-acetamido-3-(3-bromophenyl)sulfanyl-propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2R)-2-acetamido-3-[(3-bromophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-2-acetamido-3-(3-bromophenyl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2R)-2-acetamido-3-[(3-bromophenyl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C19H25BrN2O4S MolecularWeight: 457.3818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(CSC2=CC(=CC=C2)Br)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](CSC2=CC(=CC=C2)Br)NC(=O)C

InChI

InChI=1S/C19H25BrN2O4S/c1-3-26-19(25)14-7-9-22(10-8-14)18(24)17(21-13(2)23)12-27-16-6-4-5-15(20)11-16/h4-6,11,14,17H,3,7-10,12H2,1-2H3,(H,21,23)/t17-/m0/s1